Spektraris NMR
Alanolide
Common Name: Alanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H27NO6/c1-9(2)11-7-12(23)14-8-13(24)15(10(3)4)17-18(22(5)6)21(20(25)27-17)19(28-21)16(11)26-14/h11,14,16-19H,1,7-8H2,2-6H3/t11-,14-,16+,17?,18+,19+,21+/m1/s1
InChIKey: InChIKey=JMAHEPBXXRMKKD-YDSDCLCISA-N
Formula: C21H27N1O6
Molecular Weight: 389.443027
Exact Mass: 389.183838
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Soto, J.J. J Org Chem (1996) 61, 4487-90
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pseudopteranes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 42.8 |
| 2 (CH2) | 45.2 |
| 3 (C) | 204.6 |
| 4 (CH) | 76.9 |
| 5 (CH2) | 44.3 |
| 6 (C) | 201.1 |
| 7 (C) | 127.4 |
| 8 (CH) | 78.5 |
| 9 (CH) | 70.7 |
| 10 (C) | 59.8 |
| 11 (CH) | 60.8 |
| 12 (CH) | 81.6 |
| 13 (C) | 143.1 |
| 14 (CH2) | 113.4 |
| 15 (CH3) | 23.1 |
| 16 (C) | 155.8 |
| 17 (CH3) | 20.6 |
| 18 (CH3) | 24.8 |
| 19 (C) | 171.4 |
| 9a (CH3) | 40.9 |
| 9b (CH3) | 40.9 |
